# generated using pymatgen data_Zr9(CuP2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.10757954 _cell_length_b 12.10757954 _cell_length_c 3.69421575 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9(CuP2)2 _chemical_formula_sum 'Zr18 Cu4 P8' _cell_volume 541.54795042 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 0.00000000 0.00000000 0.00000000 1.0 Zr Zr1 1 0.50000000 0.50000000 0.00000000 1.0 Zr Zr2 1 0.10229996 0.18063236 0.50000000 1.0 Zr Zr3 1 0.18063236 0.89770004 0.50000000 1.0 Zr Zr4 1 0.81936764 0.10229996 0.50000000 1.0 Zr Zr5 1 0.89770004 0.81936764 0.50000000 1.0 Zr Zr6 1 0.39770004 0.68063236 0.50000000 1.0 Zr Zr7 1 0.60229996 0.31936764 0.50000000 1.0 Zr Zr8 1 0.68063236 0.60229996 0.50000000 1.0 Zr Zr9 1 0.31936764 0.39770004 0.50000000 1.0 Zr Zr10 1 0.09597971 0.40402029 0.00000000 1.0 Zr Zr11 1 0.40402029 0.90402029 0.00000000 1.0 Zr Zr12 1 0.59597971 0.09597971 0.00000000 1.0 Zr Zr13 1 0.90402029 0.59597971 0.00000000 1.0 Zr Zr14 1 0.38248809 0.11751191 0.50000000 1.0 Zr Zr15 1 0.11751191 0.61751191 0.50000000 1.0 Zr Zr16 1 0.88248809 0.38248809 0.50000000 1.0 Zr Zr17 1 0.61751191 0.88248809 0.50000000 1.0 Cu Cu18 1 0.25598393 0.24401607 0.00000000 1.0 Cu Cu19 1 0.24401607 0.74401607 0.00000000 1.0 Cu Cu20 1 0.75598393 0.25598393 0.00000000 1.0 Cu Cu21 1 0.74401607 0.75598393 0.00000000 1.0 P P22 1 0.22453949 0.05371985 0.00000000 1.0 P P23 1 0.05371985 0.77546051 0.00000000 1.0 P P24 1 0.94628015 0.22453949 0.00000000 1.0 P P25 1 0.77546051 0.94628015 0.00000000 1.0 P P26 1 0.27546051 0.55371985 0.00000000 1.0 P P27 1 0.72453949 0.44628015 0.00000000 1.0 P P28 1 0.55371985 0.72453949 0.00000000 1.0 P P29 1 0.44628015 0.27546051 0.00000000 1.0